3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide

C14H10BrFN2O3 — CID 106544040

IUPAC3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2cccc(Br)c2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrFN2O3/c1-8-11(6-3-7-12(8)18(20)21)17-14(19)9-4-2-5-10(15)13(9)16/h2-7H,1H3,(H,17,19)
InChIKeyYHBGHOYUCFCCLW-UHFFFAOYSA-N
MW353.15 g/mol
LogP4.06
Rot. Bonds3

About 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide

3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 106544040) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID106544040
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCc1c(NC(=O)c2cccc(Br)c2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrFN2O3/c1-8-11(6-3-7-12(8)18(20)21)17-14(19)9-4-2-5-10(15)13(9)16/h2-7H,1H3,(H,17,19)
InChIKeyYHBGHOYUCFCCLW-UHFFFAOYSA-N
XLogP4.06
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
5-amino-2-bromo-N-(2-methyl-3-nitrophenyl)benzamide
CID 115297130
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
3-bromo-N-(4-bromo-2-nitrophenyl)-2-fluorobenzamide
CID 107952009
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 18190907
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
3-bromo-N-(4-bromo-3-nitrophenyl)-2-fluorobenzamide
CID 106547604

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide (CID 106544040) is 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide is Cc1c(NC(=O)c2cccc(Br)c2F)cccc1[N+](=O)[O-].
What is the InChIKey of 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is YHBGHOYUCFCCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c1-8-11(6-3-7-12(8)18(20)21)17-14(19)9-4-2-5-10(15)13(9)16/h2-7H,1H3,(H,17,19).
What are the key properties of 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 353.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 106544040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).